6-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1]benzofuro[2,3-c]quinoline

C54H33N5O — CID 158919609

IUPAC6-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1]benzofuro[2,3-c]quinoline
SMILESc1ccc(-c2ccc3nc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)n5)c4)c4oc5ccccc5c4c3c2)cc1
InChIInChI=1S/C54H33N5O/c1-3-15-34(16-4-1)36-29-30-45-44(33-36)49-43-25-9-12-28-48(43)60-51(49)50(55-45)37-19-13-20-38(31-37)53-56-52(35-17-5-2-6-18-35)57-54(58-53)39-21-14-22-40(32-39)59-46-26-10-7-23-41(46)42-24-8-11-27-47(42)59/h1-33H
InChIKeyMTVKVJYOLCZDQJ-UHFFFAOYSA-N
MW767.89 g/mol
LogP13.75
Rot. Bonds6

About 6-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1]benzofuro[2,3-c]quinoline

6-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1]benzofuro[2,3-c]quinoline (PubChem CID 158919609) has the molecular formula C54H33N5O and a molecular weight of 767.89 g/mol. Its IUPAC name is 6-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1]benzofuro[2,3-c]quinoline.

Molecular Properties

Compound Name6-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1]benzofuro[2,3-c]quinoline
PubChem CID158919609
Molecular FormulaC54H33N5O
Molecular Weight767.89 g/mol
Exact Mass767.27
IUPAC Name6-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1]benzofuro[2,3-c]quinoline
SMILESc1ccc(-c2ccc3nc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)n5)c4)c4oc5ccccc5c4c3c2)cc1
InChIInChI=1S/C54H33N5O/c1-3-15-34(16-4-1)36-29-30-45-44(33-36)49-43-25-9-12-28-48(43)60-51(49)50(55-45)37-19-13-20-38(31-37)53-56-52(35-17-5-2-6-18-35)57-54(58-53)39-21-14-22-40(32-39)59-46-26-10-7-23-41(46)42-24-8-11-27-47(42)59/h1-33H
InChIKeyMTVKVJYOLCZDQJ-UHFFFAOYSA-N
XLogP13.75
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.89
LogP ≤ 513.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[3-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-2-phenyl-[1]benzofuro[2,3-c]quinoline
CID 146489479
6-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 157332504
3-dibenzofuran-1-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 165052317
9-(3-dibenzofuran-1-ylphenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118149426
2-dibenzofuran-1-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;2-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 161252356
11-[4-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene
CID 162703534
14-(9-phenylcarbazol-3-yl)-11-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 138513509
8-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-[1]benzofuro[3,2-c]quinoline
CID 155018899
4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 142592812
3-(3-carbazol-9-ylphenyl)-9-[3-[4-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]dibenzofuran-2-yl]phenyl]carbazole
CID 138718163
3-(3-carbazol-9-ylphenyl)-9-[3-[3-[3-[4-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]dibenzofuran-2-yl]phenyl]phenyl]phenyl]carbazole
CID 138718138
2-[3-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 155246444

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1]benzofuro[2,3-c]quinoline?
The IUPAC name of 6-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1]benzofuro[2,3-c]quinoline (CID 158919609) is 6-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1]benzofuro[2,3-c]quinoline.
What is the SMILES notation for 6-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1]benzofuro[2,3-c]quinoline?
The canonical SMILES for 6-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1]benzofuro[2,3-c]quinoline is c1ccc(-c2ccc3nc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)n5)c4)c4oc5ccccc5c4c3c2)cc1.
What is the InChIKey of 6-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1]benzofuro[2,3-c]quinoline?
The InChIKey is MTVKVJYOLCZDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N5O/c1-3-15-34(16-4-1)36-29-30-45-44(33-36)49-43-25-9-12-28-48(43)60-51(49)50(55-45)37-19-13-20-38(31-37)53-56-52(35-17-5-2-6-18-35)57-54(58-53)39-21-14-22-40(32-39)59-46-26-10-7-23-41(46)42-24-8-11-27-47(42)59/h1-33H.
What are the key properties of 6-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1]benzofuro[2,3-c]quinoline?
6-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1]benzofuro[2,3-c]quinoline has a molecular weight of 767.89 g/mol, XLogP of 13.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1]benzofuro[2,3-c]quinoline is sourced from PubChem (CID 158919609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).